2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

C15H20N2O4 — CID 113158977

IUPAC2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C15H20N2O4/c1-10(2)7-17(11(3)18)8-15(19)16-12-4-5-13-14(6-12)21-9-20-13/h4-6,10H,7-9H2,1-3H3,(H,16,19)
InChIKeyGNCKOFGMZHQGBK-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.86
Rot. Bonds5

About 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113158977) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113158977
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C15H20N2O4/c1-10(2)7-17(11(3)18)8-15(19)16-12-4-5-13-14(6-12)21-9-20-13/h4-6,10H,7-9H2,1-3H3,(H,16,19)
InChIKeyGNCKOFGMZHQGBK-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methylpropyl)thiourea
CID 19653231
2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166222
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113164923
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 43008615
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62015602

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 113158977) is 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is CC(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is GNCKOFGMZHQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)7-17(11(3)18)8-15(19)16-12-4-5-13-14(6-12)21-9-20-13/h4-6,10H,7-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 292.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113158977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).